Phenethyl isovalerate (CAS 140-26-1) — formula C13H18O2, molecular weight 206.13 g/mol; category food flavors.
Phenethyl isovalerate (CAS 140-26-1) is a chemical raw material in the food flavors category. Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms. Its molecular weight is about 206.13 g/mol. Reported physicochemical data: boiling point around 263.00 to 264.00 °C. @ 760.00 mm Hg, LogP about 3.6. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 140-26-1 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13 g/mol |
| Boiling Point | 263.00 to 264.00 °C. @ 760.00 mm Hg |
| LogP | 3.6 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Phenethyl isovalerate is a flavoring compound with CAS registry number 140-26-1 and molecular formula C13H18O2 (molecular weight 206.13 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 140-26-1
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: Phenethyl isovalerate · 异戊酸苯乙酯
Category: food flavors
The CAS registry number of Phenethyl isovalerate is 140-26-1.
Molecular formula C13H18O2, molecular weight 206.13 g/mol.
It is also registered under: Phenethyl isovalerate, 异戊酸苯乙酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Phenethyl isovalerate (CAS 140-26-1), compiled from public chemistry databases.
| CAS Registry Number | 140-26-1 |
|---|---|
| PubChem CID | 8792 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | 2-phenylethyl 3-methylbutanoate |
| InChIKey | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
| UNII (FDA) | K86JE60K0L |
| FEMA number | 2871 |
| JECFA number | 994 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 263.00 to 264.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 263 °C |
| Density | 0.973-0.976 |
| Refractive Index | 1.482-1.487 |
140-26-1; Phenethyl isovalerate; Phenylethyl isovalerate; Butanoic acid, 3-methyl-, 2-phenylethyl ester; ISOVALERIC ACID, PHENETHYL ESTER; Phenylethyl 3-methylbutyrate; FEMA No. 2871; K86JE60K0L; NSC-21899; DTXSID2059693; RefChem:172673; DTXCID3034539; 205-406-3; 2-Phenylethyl 3-methylbutanoate; 2-Phenylethyl isovalerate; phenethyl 3-methylbutanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Mint No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 74.1% (326 / 440) |
| GHS notification summary | 74.1% (326 / 440) |
|---|---|
| Reported hazard statements | H411 (25.9%) |
This chemical does not meet GHS hazard criteria for 74.1% (326 of 440) of all reports.
H411 (25.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Phenethyl isovalerate is identified by CAS 140-26-1, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII K86JE60K0L; InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N. Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg; Boiling Point: 263 °C; Density: 0.973-0.976.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊酸苯乙酯